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Daniel Bauer
2020-10-24 20:44:27 +02:00
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src/cli.yml
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@@ -1,5 +1,5 @@
name: wham name: wham
version: "0.9.0" version: "0.9.9"
author: D. Bauer <bauer@bio.tu-darmstadt.de> author: D. Bauer <bauer@bio.tu-darmstadt.de>
about: | about: |
wham is a fast implementation of the weighted histogram analysis method (WHAM) written in Rust. It currently supports potential of mean force (PMF) calculations in multiple dimensions at constant temperature. wham is a fast implementation of the weighted histogram analysis method (WHAM) written in Rust. It currently supports potential of mean force (PMF) calculations in multiple dimensions at constant temperature.